Theoretical study of PTCDA adsorbed on the coinage metal surfaces, Ag(111), Au(111) and Cu(111)
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- Type
- article
- Published
- 2009-05-01
- Cited by
- 182
- References
- 57
- Access
- Open access
- OpenAlex
- https://openalex.org/W1969226179
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:120119195
Keywords
Work function, van der Waals force, Monolayer, Density functional theory, Adsorption
References
- Substrate-dependent bonding distances of PTCDA: A comparative x-ray standing-wave study on Cu(111) and Ag(111)
- Site-selective adsorption of naphthalene-tetracarboxylic-dianhydride on Ag(110) : First-principles calculations
- Vertical bonding distances of PTCDA on Au(1 1 1) and Ag(1 1 1): Relation to the bonding type
- Projector augmented-wave method.
- Self-assembled monolayers of alkanethiols on copper provide corrosion resistance in aqueous environments
- Hauschild et al. Reply
- Cohesive and surface energies of π -conjugated organic molecular crystals: A first-principles study
- Creating long-lived superhydrophobic polymer surfaces through mechanically assembled monolayers.
- Valence electronic structure of gas-phase 3,4,9,10-perylene tetracarboxylic acid dianhydride: Experiment and theory
- Molecular beam epitaxy of organic films investigated by high resolution low energy electron diffraction (SPA-LEED): 3,4,9,10-perylenetetracarboxylicacid-dianhydride (PTCDA) on Ag(111)
- Interface energetics and level alignment at covalent metal-molecule junctions: pi-conjugated thiols on gold.
- Generalized Gradient Approximation Made Simple.
- Tuning of Metal Work Functions with Self‐Assembled Monolayers
- Epitaxial growth of 3,4,9,10-perylene-tetracarboxylic-dianhydride on Au(111): A STM and RHEED study
- PTCDA on Au(111), Ag(111) and Cu(111): Correlation of interface charge transfer to bonding distance
- Photoelectron spectroscopic study of the electronic band structure of polyfluorene and fluorene-arylamine copolymers at interfaces
- van der Waals density functional for general geometries.
- Barrier formation at metal-organic interfaces: dipole formation and the charge neutrality level
- Molecular distortions and chemical bonding of a large pi-conjugated molecule on a metal surface.
- Schottky barrier height at an organic/metal junction: A first-principles study of PTCDA/X (X=Al, Ag) contacts
Cited by
- Influence of strain and metal thickness on metal-MoS₂ contacts.
- Magnetism and electronic structure at hybrid manganese-phthalocyanine/metal interfaces
- Transformations of PTCDA structures on rutile TiO2 induced by thermal annealing and intermolecular forces
- Many-body dispersion effects in the binding of adsorbates on metal surfaces.
- van der Waals forces in density functional theory: a review of the vdW-DF method
- Modelling the adsorption of peptides at aqueous quartz and gold interfaces
- Understanding dissipative tip-molecule interactions with submolecular resolution on an organic adsorbate.
- Normal-incidence x-ray standing-wave study of copper phthalocyanine submonolayers on Cu(111) and Au(111)
- Laws of thermal diffusion of individual molecules on the gold surface.
- STM studies of PTCDA supramolecular self-assembling on anisotropic surfaces of reconstructed InSb
- Integer versus Fractional Charge Transfer at Metal(/Insulator)/Organic Interfaces: Cu(/NaCl)/TCNE
- Doping of graphene by a Au(111) substrate: Calculation strategy within the local density approximation and a semiempirical van der Waals approach
- Heteromolecular metal–organic interfaces: Electronic and structural fingerprints of chemical bonding
- Understanding Structure and Bonding of Multilayered Metal–Organic Nanostructures
- First-principles study of the dipole layer formation at metal-organic interfaces
- A momentum space view of the surface chemical bond.
- JuNoLo - Jülich nonlocal code for parallel post-processing evaluation of vdW-DF correlation energy
- A particularly strong organic acceptor for tuning the hole-injection barriers in modern organic devices
- noloco: An efficient implementation of van der Waals density functionals based on a Monte-Carlo integration technique
- Epitaxial growth of sexi-thiophene and para-hexaphenyl and its implications for the fabrication of self-assembled lasing nano-fibres
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